N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide

C15H11ClFN5O — CID 70251977

IUPACN-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)nc1
InChIInChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-11-4-2-3-10(16)7-11)20-21-22(9)12-5-6-13(17)18-8-12/h2-8H,1H3,(H,19,23)
InChIKeyDNVIACBOWVIYKL-UHFFFAOYSA-N
MW331.74 g/mol
LogP3.02
Rot. Bonds3

About N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide

N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide (PubChem CID 70251977) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide
PubChem CID70251977
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC NameN-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)nc1
InChIInChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-11-4-2-3-10(16)7-11)20-21-22(9)12-5-6-13(17)18-8-12/h2-8H,1H3,(H,19,23)
InChIKeyDNVIACBOWVIYKL-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 470912
N-(4-chlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439468
N-(3-chloro-4-(trifluoromethyl)phenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439481
N-(3,4-dichlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439482
3-amino-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 113447561
3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 127046204
2-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinamide
CID 1224527
N-(3-chlorophenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-pyrazole-5-carboxamide
CID 44439469
N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide
CID 4162326
N-(2-chloro-4-pyridinyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76323894
1H-1,2,3-Triazole-4-carboxamide, 5-methyl-N-phenyl-1-(4-pyridinyl)-
CID 3053681

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide (CID 70251977) is N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)nc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The InChIKey is DNVIACBOWVIYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c1-9-14(15(23)19-11-4-2-3-10(16)7-11)20-21-22(9)12-5-6-13(17)18-8-12/h2-8H,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide?
N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide has a molecular weight of 331.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 70251977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).